2-[5-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-4-carbonitrile

C50H31N3 — CID 118398145

IUPAC2-[5-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2ccc(-c3cc4c(c5ccccc35)-c3ccc(-c5ccc6ccccc6c5)cc3C4(c3ccccc3)c3ccccc3)cn2)c1
InChIInChI=1S/C50H31N3/c51-31-33-25-26-52-48(27-33)47-24-22-38(32-53-47)44-30-46-49(42-18-10-9-17-41(42)44)43-23-21-37(36-20-19-34-11-7-8-12-35(34)28-36)29-45(43)50(46,39-13-3-1-4-14-39)40-15-5-2-6-16-40/h1-30,32H
InChIKeyVUWDLIXOIQAXPI-UHFFFAOYSA-N
MW673.82 g/mol
LogP12.02
Rot. Bonds5

About 2-[5-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-4-carbonitrile

2-[5-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-4-carbonitrile (PubChem CID 118398145) has the molecular formula C50H31N3 and a molecular weight of 673.82 g/mol. Its IUPAC name is 2-[5-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[5-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-4-carbonitrile
PubChem CID118398145
Molecular FormulaC50H31N3
Molecular Weight673.82 g/mol
Exact Mass673.25
IUPAC Name2-[5-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2ccc(-c3cc4c(c5ccccc35)-c3ccc(-c5ccc6ccccc6c5)cc3C4(c3ccccc3)c3ccccc3)cn2)c1
InChIInChI=1S/C50H31N3/c51-31-33-25-26-52-48(27-33)47-24-22-38(32-53-47)44-30-46-49(42-18-10-9-17-41(42)44)43-23-21-37(36-20-19-34-11-7-8-12-35(34)28-36)29-45(43)50(46,39-13-3-1-4-14-39)40-15-5-2-6-16-40/h1-30,32H
InChIKeyVUWDLIXOIQAXPI-UHFFFAOYSA-N
XLogP12.02
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.82
LogP ≤ 512.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[5-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-4-carbonitrile with MolForge

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Related Compounds

2-[5-(5,7,7-triphenylbenzo[g]fluoren-9-yl)-2-pyridinyl]pyridine-4-carbonitrile
CID 118397955
2-[5-(12,12-diphenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-2-pyridinyl]pyridine-4-carbonitrile;4-[6-(12,12-diphenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-2-pyridinyl]pyridine-2-carbonitrile;5-[6-(12,12-diphenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-2-pyridinyl]pyridine-3-carbonitrile
CID 158263624
4-[5-(2-cyano-4-pyridinyl)-7,7-diphenylbenzo[g]fluoren-9-yl]pyridine-2-carbonitrile
CID 118398019
5-naphthalen-2-yl-9-phenanthren-9-yl-7,7-diphenylbenzo[c]fluorene
CID 59755304
5,9-dinaphthalen-2-yl-7,7-diphenylbenzo[c]fluorene;ethene;propane
CID 144772565
4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylbenzo[g]fluoren-9-yl]benzonitrile
CID 159211457
5-[6-(7,7,9-triphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-3-carbonitrile
CID 118398141
4-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]pyridine-2-carbonitrile
CID 118398099
9-methyl-5-(4-naphthalen-2-ylphenyl)-7,7-diphenylbenzo[c]fluorene
CID 59755354
2-[5-[9-[6-(4-cyano-2-pyridinyl)-3-pyridinyl]benzo[b]triphenylen-14-yl]-2-pyridinyl]pyridine-4-carbonitrile
CID 126542247
2-(5-pyren-2-yl-2-pyridinyl)pyridine-4-carbonitrile
CID 118397170
4,4-dimethyl-2-[4-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-5H-1,3-thiazole
CID 135249763

Frequently Asked Questions

What is the IUPAC name of 2-[5-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-4-carbonitrile?
The IUPAC name of 2-[5-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-4-carbonitrile (CID 118398145) is 2-[5-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[5-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[5-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-4-carbonitrile is N#Cc1ccnc(-c2ccc(-c3cc4c(c5ccccc35)-c3ccc(-c5ccc6ccccc6c5)cc3C4(c3ccccc3)c3ccccc3)cn2)c1.
What is the InChIKey of 2-[5-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-4-carbonitrile?
The InChIKey is VUWDLIXOIQAXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N3/c51-31-33-25-26-52-48(27-33)47-24-22-38(32-53-47)44-30-46-49(42-18-10-9-17-41(42)44)43-23-21-37(36-20-19-34-11-7-8-12-35(34)28-36)29-45(43)50(46,39-13-3-1-4-14-39)40-15-5-2-6-16-40/h1-30,32H.
What are the key properties of 2-[5-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-4-carbonitrile?
2-[5-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-4-carbonitrile has a molecular weight of 673.82 g/mol, XLogP of 12.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-4-carbonitrile is sourced from PubChem (CID 118398145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).